- InChI
- InChI=1S/C23H32O4/c1-2-26-22(24)16-10-5-11-17-23(25)27-21(20-14-8-4-9-15-20)18-19-12-6-3-7-13-19/h4,6,8-9,12,14-15,19,21H,2-3,5,7,10-11,13,16-18H2,1H3
- InChI Key
- VLDBULPGJQUXLA-UHFFFAOYSA-N
- Formula
- C23H32O4
- SMILES
-
CCOC(=O)CCCCCC(=O)OC(CC1C=CCCC
1)c1ccccc1 - Molecular Weight1
- 372.50
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -160.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -664.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.71 | kJ/mol | Joback Calculated Property |
| log10WS | -6.24 | Crippen Calculated Property | |
| logPoct/wat | 5.531 | Crippen Calculated Property | |
| McVol | 310.890 | ml/mol | McGowan Calculated Property |
| Pc | 1318.48 | kPa | Joback Calculated Property |
| Inp | [2780.00; 2780.00] |
|
|
| Inp | 2780.00 | NIST | |
| Inp | 2780.00 | NIST | |
| Tboil | 923.17 | K | Joback Calculated Property |
| Tc | 1143.17 | K | Joback Calculated Property |
| Tfus | 512.85 | K | Joback Calculated Property |
| Vc | 1.177 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.30; 1100.25] | J/mol×K | [923.17; 1143.17] |
|
| Cp,gas | 1024.30 | J/mol×K | 923.17 | Joback Calculated Property |
| Cp,gas | 1040.63 | J/mol×K | 959.84 | Joback Calculated Property |
| Cp,gas | 1055.42 | J/mol×K | 996.50 | Joback Calculated Property |
| Cp,gas | 1068.72 | J/mol×K | 1033.17 | Joback Calculated Property |
| Cp,gas | 1080.59 | J/mol×K | 1069.84 | Joback Calculated Property |
| Cp,gas | 1091.09 | J/mol×K | 1106.50 | Joback Calculated Property |
| Cp,gas | 1100.25 | J/mol×K | 1143.17 | Joback Calculated Property |
| η | [0.0000359; 0.0006331] | Pa×s | [512.85; 923.17] |
|
| η | 0.0006331 | Pa×s | 512.85 | Joback Calculated Property |
| η | 0.0002961 | Pa×s | 581.24 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 649.62 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 718.01 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 786.40 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 854.78 | Joback Calculated Property |
| η | 0.0000359 | Pa×s | 923.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl ethyl ester.
Sources
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